Details of the Drug

General Information of Drug (ID: DM1F2K0)

Drug Name
Triazolopyridine
Synonyms
CP-808844; 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE; 1zzl; AC1NRDFA; Triazolopyridine deriv. 25; SCHEMBL40860; CHEMBL194322; BDBM15414; DB04797; 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridine; 6-[4-(4-Fluoro-phenyl)-oxazol-5-yl]-3-isopropyl-[1,2,4]-triazolo[4,3-a]pyridine; 4-(4-fluorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triazolo[3,4-a]pyridin-6-yl]-1,3-oxazole
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 322.3
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H15FN4O
IUPAC Name
4-(4-fluorophenyl)-5-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,3-oxazole
Canonical SMILES
CC(C)C1=NN=C2N1C=C(C=C2)C3=C(N=CO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
InChIKey
OVCXRBARSPBVMC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5289514
DrugBank ID
DB04797
TTD ID
D0X5CM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Stress-activated protein kinase 2a (p38 alpha) TTQBR95 MK14_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Stress-activated protein kinase 2a (p38 alpha) DTT MAPK14 7.98E-04 1.33 2.48
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.